Project name: 2c891f82cf97e14

Chain sequence(s)	H: QVQLVQSGAEVKKPGASVKVSCKASGYTFTNYWMNWVRQAPRQGLEWMGMFHPTGDVTRLNQKFKDRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARTTSMIIGGFAYWGQGTLVTVSS; L: DIVMTQTPLSLSVTPGQPASISCRSSKSLLHRNAITYFYWYLHKPGQPPQLLIYQMSNLASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCAQNLELPLTFGGGTKVEIK
Selected Chain(s)	H,L
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:50)

• Minimal score value: -3.167
• Maximal score value: 2.6106
• Average score: -0.502
• Total score value: -116.4614

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	Q	H	-1.3440
2	V	H	-0.5381
3	Q	H	-0.7788
4	L	H	0.0000
5	V	H	0.6378
6	Q	H	0.0000
7	S	H	-0.4262
8	G	H	-0.4025
9	A	H	0.3087
11	E	H	0.0692
12	V	H	0.9887
13	K	H	-1.0083
14	K	H	-2.1981
15	P	H	-2.0962
16	G	H	-1.6191
17	A	H	-1.2918
18	S	H	-1.3811
19	V	H	0.0000
20	K	H	-1.9521
21	V	H	0.0000
22	S	H	-0.5284
23	C	H	0.0000
24	K	H	-0.6945
25	A	H	0.0000
26	S	H	-0.6506
27	G	H	-0.8754
28	Y	H	-0.4547
29	T	H	-0.3432
30	F	H	0.0000
35	T	H	-0.6277
36	N	H	-0.8813
37	Y	H	-0.1146
38	W	H	0.2684
39	M	H	0.0000
40	N	H	0.0000
41	W	H	0.0000
42	V	H	0.0000
43	R	H	0.0000
44	Q	H	-0.6818
45	A	H	-1.2660
46	P	H	-1.7112
47	R	H	-2.6424
48	Q	H	-2.3999
49	G	H	-1.3671
50	L	H	0.0000
51	E	H	-0.6257
52	W	H	0.0000
53	M	H	0.0000
54	G	H	0.0000
55	M	H	0.0884
56	F	H	0.0000
57	H	H	-0.2940
58	P	H	0.0000
59	T	H	-0.5914
62	G	H	-0.6783
63	D	H	-1.0560
64	V	H	0.7924
65	T	H	0.0788
66	R	H	-0.5268
67	L	H	-1.0706
68	N	H	-1.6036
69	Q	H	-2.7339
70	K	H	-2.9533
71	F	H	0.0000
72	K	H	-3.1670
74	D	H	-3.0533
75	R	H	-2.1213
76	V	H	0.0000
77	T	H	-0.9593
78	M	H	0.0000
79	T	H	-0.4692
80	R	H	-1.1736
81	D	H	-1.0350
82	T	H	-0.5805
83	S	H	-0.4716
84	T	H	-0.5713
85	S	H	-0.6521
86	T	H	0.0000
87	V	H	0.0000
88	Y	H	-0.6043
89	M	H	0.0000
90	E	H	-1.2249
91	L	H	0.0000
92	S	H	-1.3207
93	S	H	-1.4363
94	L	H	0.0000
95	R	H	-3.1498
96	S	H	-2.3801
97	E	H	-2.5960
98	D	H	0.0000
99	T	H	-0.7170
100	A	H	0.0000
101	V	H	0.7130
102	Y	H	0.0000
103	Y	H	0.0000
104	C	H	0.0000
105	A	H	0.0000
106	R	H	0.0000
107	T	H	0.0000
108	T	H	0.8663
109	S	H	0.7773
110	M	H	1.9082
111	I	H	2.6106
112	I	H	1.5289
113	G	H	0.8302
114	G	H	0.0000
115	F	H	0.0000
116	A	H	0.3288
117	Y	H	0.4443
118	W	H	0.0690
119	G	H	0.0000
120	Q	H	-0.9532
121	G	H	-0.2488
122	T	H	0.0000
123	L	H	1.0814
124	V	H	0.0000
125	T	H	-0.0818
126	V	H	0.0000
127	S	H	-0.9452
128	S	H	-0.7959
1	D	L	-1.5527
2	I	L	0.0000
3	V	L	0.5856
4	M	L	0.0000
5	T	L	-0.3628
6	Q	L	0.0000
7	T	L	-0.0083
8	P	L	0.4383
9	L	L	1.1563
10	S	L	0.1517
11	L	L	-0.1298
12	S	L	-0.7741
13	V	L	0.0000
14	T	L	-1.3534
15	P	L	-1.4534
16	G	L	-1.7318
17	Q	L	-1.8852
18	P	L	-1.7342
19	A	L	0.0000
20	S	L	-0.8275
21	I	L	0.0000
22	S	L	-0.7851
23	C	L	0.0000
24	R	L	-2.2709
25	S	L	0.0000
26	S	L	-1.2204
27	K	L	-2.1112
28	S	L	-1.0275
29	L	L	0.0000
30	L	L	0.5210
31	H	L	-0.5722
32	R	L	-2.0131
34	N	L	-1.4568
35	A	L	-0.2934
36	I	L	0.6325
37	T	L	0.0000
38	Y	L	0.5999
39	F	L	0.0000
40	Y	L	0.0000
41	W	L	0.0000
42	Y	L	0.0000
43	L	L	0.0000
44	H	L	-0.6253
45	K	L	-1.0180
46	P	L	-0.7395
47	G	L	-1.2952
48	Q	L	-1.7439
49	P	L	-1.1735
50	P	L	0.0000
51	Q	L	-0.8020
52	L	L	0.0000
53	L	L	0.0000
54	I	L	0.0000
55	Y	L	0.2310
56	Q	L	0.0000
57	M	L	0.1924
65	S	L	-0.2831
66	N	L	-0.4002
67	L	L	-0.0213
68	A	L	-0.0094
69	S	L	-0.2997
70	G	L	-0.5875
71	V	L	-0.4354
72	P	L	-0.9145
74	D	L	-1.9383
75	R	L	0.0000
76	F	L	0.0000
77	S	L	-1.1550
78	G	L	-0.6605
79	S	L	-0.8127
80	G	L	-0.8532
83	S	L	-0.4647
84	G	L	-0.7137
85	T	L	-1.5146
86	D	L	-1.9109
87	F	L	0.0000
88	T	L	-1.0372
89	L	L	0.0000
90	K	L	-1.8768
91	I	L	0.0000
92	S	L	-1.9474
93	R	L	-2.5177
94	V	L	0.0000
95	E	L	-1.5420
96	A	L	-1.2024
97	E	L	-1.6761
98	D	L	0.0000
99	V	L	-0.0637
100	G	L	0.0000
101	V	L	0.1761
102	Y	L	0.0000
103	Y	L	0.0000
104	C	L	0.0000
105	A	L	0.0000
106	Q	L	0.0000
107	N	L	-0.2828
108	L	L	-0.2748
109	E	L	-1.2658
114	L	L	-0.0176
115	P	L	-0.6403
116	L	L	0.0000
117	T	L	-0.1275
118	F	L	0.0000
119	G	L	0.0000
120	G	L	-0.5497
121	G	L	0.0000
122	T	L	0.0000
123	K	L	-0.4606
124	V	L	0.0000
125	E	L	-0.7092
126	I	L	-0.6681
127	K	L	-1.6241